ATOM 33
1 C8y C 7.0700 -9.4500
2 C8x C 7.0700 -10.8500
3 C8y C 8.2600 -11.5500
4 C8x C 9.5200 -10.8500
5 C8y C 9.5200 -9.4500
6 C8y C 8.2600 -8.7500
7 C1y C 16.8000 -10.8500
8 C1x C 15.5400 -11.5500
9 C5x C 15.5400 -12.9500
10 C1y C 14.3500 -13.6500
11 C2x C 13.0900 -12.9500
12 C2x C 11.9000 -13.6500
13 C2x C 10.7100 -12.9500
14 C2y C 9.4500 -13.6500
15 O1a O 17.9900 -11.5500
16 O5x O 16.7300 -13.6500
17 O2a O 14.3500 -15.0500
18 C1x C 8.2600 -12.9500
19 C1a C 9.4500 -15.0500
20 C1y C 16.8000 -9.4500
21 N1x N 10.5000 -8.2600
22 C5x C 11.9000 -8.2600
23 C1x C 12.6000 -7.0000
24 C1y C 14.0000 -7.0000
25 C2y C 14.7000 -8.1900
26 C2x C 16.1000 -8.1900
27 O5x O 12.6000 -9.4500
28 O1a O 14.7000 -5.8100
29 C1a C 14.0000 -9.3800
30 C1a C 18.1300 -9.1000
31 O1a O 5.8547 -8.7549
32 X Cl 8.2428 -7.3501
33 C1a C 13.1347 -15.7451
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 7 15 1 #Up
15 9 16 2
16 10 17 1 #Down
17 14 18 1
18 18 3 1
19 14 19 1
20 7 20 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 2
26 26 20 1
27 22 27 2
28 24 28 1 #Down
29 25 29 1
30 20 30 1 #Down
31 5 21 1
32 1 31 1
33 6 32 1
34 17 33 1
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